CID 67339

Stearoyl sarcosine

Structural Information

Molecular Formula

C₂₁H₄₁NO₃

SMILES

CCCCCCCCCCCCCCCCCC(=O)N(C)CC(=O)O

InChI

InChI=1S/C21H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h3-19H2,1-2H3,(H,24,25)

InChIKey

RJYOKYDKKOFLBT-UHFFFAOYSA-N

Compound name

2-[methyl(octadecanoyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 2365
Patents: 355.30865 Da
Monoisotopic Mass: 7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	356.31593	198.9
[M+Na]+	378.29787	198.9
[M-H]-	354.30137	196.5
[M+NH4]+	373.34247	211.4
[M+K]+	394.27181	196.4
[M+H-H2O]+	338.30591	191.1
[M+HCOO]-	400.30685	216.9
[M+CH3COO]-	414.32250	222.8
[M+Na-2H]-	376.28332	194.5
[M]+	355.30810	205.9
[M]-	355.30920	205.9

Literature stripe

literature stripe

Patent stripe

patents stripe